tx258/lammps-gran-kokkos
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fix refactoring bugs

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This commit is contained in:
Axel Kohlmeyer
2021-08-05 12:20:20 -04:00
parent 177e60830e
commit 5295bb5109
1 changed files with 3 additions and 4 deletions
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7
src/REPLICA/fix_grem.cpp
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@ -76,20 +76,19 @@ FixGrem::FixGrem(LAMMPS *lmp, int narg, char **arg) :
// pass id_temp as 4th arg to pressure constructor
id_press = utils::strdup(std::string(id) + "_press");
modify->add_compute(fmt::format("{} all PRESSURE/GREM {}",
id_press, id_temp));
modify->add_compute(fmt::format("{} all PRESSURE/GREM {} {}", id_press, id_temp, id));
// create a new compute ke style
// id = fix-ID + ke
id_ke = utils::strdup(std::string(id) + "_ke");
modify->add_compute(fmt::format("{} all ke",id_temp));
modify->add_compute(fmt::format("{} all ke",id_ke));
// create a new compute pe style
// id = fix-ID + pe
id_pe = utils::strdup(std::string(id) + "_pe");
modify->add_compute(fmt::format("{} all pe",id_temp));
modify->add_compute(fmt::format("{} all pe",id_pe));
int ifix = modify->find_fix(id_nh);
if (ifix < 0)